N-(2-cyanoethyl)-1-ethyl-6-fluoranyl-4-oxidanylidene-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-1-ethyl-6-fluoranyl-4-oxidanylidene-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxamide Openeye Name: N-(2-cyanoethyl)-1-ethyl-6-fluoro-7-[(4-isopropylthiazol-2-yl)methyl]-4-oxo-cinnoline-3-carboxamide CAS Name: N-(2-cyanoethyl)-1-ethyl-6-fluoro-4-oxo-7-[(4-propan-2-yl-2-thiazolyl)methyl]-3-cinnolinecarboxamide IUPAC Name: N-(2-cyanoethyl)-1-ethyl-6-fluoro-4-oxo-7-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cinnoline-3-carboxamide Traditional Name: N-(2-cyanoethyl)-1-ethyl-6-fluoro-7-[(4-isopropylthiazol-2-yl)methyl]-4-keto-cinnoline-3-carboxamide Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)NCCC#N)F)CC3=NC(=CS3)C(C)C

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)NCCC#N)F)CC3=NC(=CS3)C(C)C

InChI

InChI=1S/C21H22FN5O2S/c1-4-27-17-8-13(9-18-25-16(11-30-18)12(2)3)15(22)10-14(17)20(28)19(26-27)21(29)24-7-5-6-23/h8,10-12H,4-5,7,9H2,1-3H3,(H,24,29)